PHA-665752 - Small Molecule (ID:10125-101)
| HMS LINCS ID: |
10125-101
|
| Name: | PHA-665752 |
| Alternative Names: | |
| LINCS ID: | LSM-42793 |
| PubChem CID: | 66596670 |
| ChEBI ID: | |
| ChEMBL ID: | 450786 |
| Molecular Mass: | 640.17 |
| InChi: | InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/t21-/m1/s1 |
| InChi Key: | OYONTEXKYJZFHA-OAQYLSRUSA-N |
| SMILES: | CC1=C(NC(=C1C(=O)N2CCC[C@@H]2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2018-03-30 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
BMP2K, CAMKK1, CAMKK2, DDR1, GRK7, HIPK1, HIPK3, MAP3K19, MAP4K5, MET, SRPK1, TAOK3 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AAK1, AURKC, AXL, CDK15, CDK17, CDK7, CLK1, CLK2, CSF1R, CSNK1E, DCLK2, FLT3, GRK4, HIPK2, ICK, IKBKE, IRAK3, JAK2, JAK3, LCK, MAK, MAP2K2, MAP3K12, MAP4K1, MAP4K3, MAP4K4, MINK1, MST1R, MYLK2, NEK2, NTRK1, NTRK2, NTRK3, NUAK1, NUAK2, PIP5K1A, PLK4, PRKAA1, PRKAA2, PTK2B, RET, RIOK1, RIOK3, SLK, SRPK2, STK10, STK33, TAOK1, TBK1, TNIK, TPTEP2-CSNK1E |
3 (equivalent to 1µM ≤ Kd < 10 µM) | ABL1, ABL2, AIM1, ALK, AURKB, BLK, BMPR2, CAMK1, CAMK1D, CAMK2A, CAMK2D, CAMK2G, CASK, CDK14, CDK16, CDK18, CDK4, CDK9, CDKL2, CLK3, CSNK1D, CSNK2A2, DCLK1, DCLK3, DDR2, EIF2AK4, EPHA8, EPHB6, FGFR1, FGFR2, FGFR3, FGR, FLG, FLT4, GAK, GRK1, HIPK4, HUNK, INSR, INSRR, IRAK1, IRAK4, JAK1, KDR, KIT, MAP2K1, MAP2K5, MAP3K13, MAP3K2, MAP3K3, MAP3K4, MAP3K7, MAP4K2, MAPK7, MARK2, MERTK, MYLK, NIM1K, PAK1, PAK3, PAK5, PDGFRA, PDGFRB, PHKG1, PHKG2, PIP4K2B, PLK2, PRPF4B, PTK2, RIPK1, ROCK2, ROS1, RPS6KA3, RPS6KA5, RPS6KA6, RPS6KB1, SIK2, SRC, SRPK3, STK11, STK16, STK17A, STK17B, STK26, STK3, TAOK2, TEK, TIE1, TKT, TSSK1B, TYK2, TYRO3, ULK1, ULK2, YES1 |
10 (confirmed non-binding) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
| 20237 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 1 of 15: Cell count and relative growth within biological replicate 1. | Microscopy/Imaging |
| 20238 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 2 of 15: Cell count and relative growth within biological replicate 2. | Microscopy/Imaging |
| 20239 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 3 of 15: Cell count and relative growth within biological replicate 3. | Microscopy/Imaging |
| 20240 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 4 of 15: Mean cell count and mean growth rate across biological replicate 1. | Microscopy/Imaging |
| 20241 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 5 of 15: Mean cell count and mean growth rate across biological replicate 2. | Microscopy/Imaging |
| 20242 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 6 of 15: Mean cell count and mean growth rate across biological replicate 3. | Microscopy/Imaging |
| 20243 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 7 of 15: Mean cell count and mean growth rate across all replicates. | Microscopy/Imaging |
| 20245 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 8 of 15: Cell count and normalized growth rate inhibition values within biological replicate 1. | Microscopy/Imaging |
| 20246 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 9 of 15: Cell count and normalized growth rate inhibition values within biological replicate 2. | Microscopy/Imaging |
| 20247 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 10 of 15: Cell count and normalized growth rate inhibition values within biological replicate 3. | Microscopy/Imaging |
| 20248 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 11 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 1. | Microscopy/Imaging |
| 20249 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 12 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 2. | Microscopy/Imaging |
| 20250 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 13 of 15: Mean cell count and mean normalized growth rate inhibition values across biological replicate 3. | Microscopy/Imaging |
| 20251 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 14 of 15: Mean cell count and mean normalized growth rate inhibition values across all replicates. | Microscopy/Imaging |
| 20252 | LINCS Pilot Phase Joint Project: Sensitivity measures of six breast cancer cell lines to a library of small molecule kinase inhibitors (single drug treatments). Dataset 15 of 15: Calculated dose-response metrics. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10125-101-1 | Haoyuan chemexpress | HY-11107-20110919 |
| 10125-101-2 | Pfizer |
(Kd <100 nM)